Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL330589 | 0.79 | L3MBTL1 (0.48) | NAPRTCYP3A4LMNAALDH1A1MEN1 | |
| SCHEMBL1887807 | 0.79 | CYP1A2 (0.51) | NAPRTCYP1A2CYP3A4TP53LMNA | |
| SCHEMBL5353045 | 0.79 | GSK3B (0.56) | NAPRTCYP1A2CYP3A4LMNAALDH1A1 | |
| SCHEMBL7432886 | 0.78 | NAPRT (0.46) | NAPRTCYP1A2CYP3A4TP53LMNA | |
| Bromide SCHEMBL4188500 | 0.78 | CYP1A2 (0.50) | NAPRTCYP1A2CYP3A4TP53LMNA | |
| SCHEMBL15458715 | 0.78 | ALDH1A1 (0.48) | LMNAALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL1881302 | 0.77 | KMT2A (0.45) | CYP1A2CYP3A4LMNAALDH1A1MEN1 | |
| SCHEMBL908908 | 0.76 | CES2 (0.46) | ALDH1A1MEN1KMT2AHPGDHTT | |
| SCHEMBL19104772 | 0.76 | CYP1A2 (0.49) | NAPRTCYP1A2CYP3A4TP53LMNA | |
| SCHEMBL7933884 | 0.75 | NAPRT (0.48) | NAPRTCYP1A2CYP3A4TP53LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0329070-B1 | Cardiotonic alkanoyl and aroyl oxazolones | MERRELL DOW PHARMA (US) | 1994-01-05 | — | — | EP | disclosed |
| US-4866182-A | TREATMENT OF HEART FAILURE | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-09-12 | — | — | US | disclosed |
| EP-0329070-A1 | Cardiotonic alkanoyl and aroyl oxazolones | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-08-23 | — | — | EP | disclosed |